N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine

C11H23NO3S — CID 107138962

IUPACN,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
SMILESCNC(C1CCCOC1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,16(4,13)14)10(12-3)9-6-5-7-15-8-9/h9-10,12H,5-8H2,1-4H3
InChIKeyOUOPBYZIVSRJSG-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.82
Rot. Bonds4

About N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine

N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine (PubChem CID 107138962) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
PubChem CID107138962
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine
SMILESCNC(C1CCCOC1)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,16(4,13)14)10(12-3)9-6-5-7-15-8-9/h9-10,12H,5-8H2,1-4H3
InChIKeyOUOPBYZIVSRJSG-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-methylsulfonyl-1-(oxolan-3-yl)propan-1-amine
CID 115856549
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
1-cyclobutyl-2-methyl-2-methylsulfonylpropan-1-ol
CID 115837892
4-ethylsulfonyl-N-methyl-1-(oxan-3-yl)butan-1-amine
CID 65332408
N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139092
1-(2-ethylcyclohexyl)-N,2-dimethyl-2-methylsulfonylpropan-1-amine
CID 115862666
3-methoxy-N,3-dimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139365
2-methoxy-N-methyl-1-(oxan-3-yl)propan-1-amine
CID 107136651
2,2-dimethyl-1-(oxan-3-yl)-N-propylbutan-1-amine
CID 107138992
2-ethoxy-N,2-dimethyl-1-(oxolan-3-yl)propan-1-amine
CID 116726546
N-ethyl-3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107138800
1-(4-tert-butylphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012550

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
The IUPAC name of N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine (CID 107138962) is N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
The canonical SMILES for N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine is CNC(C1CCCOC1)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
The InChIKey is OUOPBYZIVSRJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,16(4,13)14)10(12-3)9-6-5-7-15-8-9/h9-10,12H,5-8H2,1-4H3.
What are the key properties of N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine?
N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-methylsulfonyl-1-(oxan-3-yl)propan-1-amine is sourced from PubChem (CID 107138962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).